2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane

C12H13NSi — CID 12967993

IUPAC2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
SMILESC#Cc1cccc(C#C[Si](C)(C)C)n1
InChIInChI=1S/C12H13NSi/c1-5-11-7-6-8-12(13-11)9-10-14(2,3)4/h1,6-8H,2-4H3
InChIKeyDGGOHHRQHWACJT-UHFFFAOYSA-N
MW199.33 g/mol
LogP2.29
Rot. Bonds

About 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane

2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane (PubChem CID 12967993) has the molecular formula C12H13NSi and a molecular weight of 199.33 g/mol. Its IUPAC name is 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
PubChem CID12967993
Molecular FormulaC12H13NSi
Molecular Weight199.33 g/mol
Exact Mass199.08
IUPAC Name2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
SMILESC#Cc1cccc(C#C[Si](C)(C)C)n1
InChIInChI=1S/C12H13NSi/c1-5-11-7-6-8-12(13-11)9-10-14(2,3)4/h1,6-8H,2-4H3
InChIKeyDGGOHHRQHWACJT-UHFFFAOYSA-N
XLogP2.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane (CID 12967993) is 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane is C#Cc1cccc(C#C[Si](C)(C)C)n1.
What is the InChIKey of 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane?
The InChIKey is DGGOHHRQHWACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NSi/c1-5-11-7-6-8-12(13-11)9-10-14(2,3)4/h1,6-8H,2-4H3.
What are the key properties of 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane?
2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane has a molecular weight of 199.33 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane is sourced from PubChem (CID 12967993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).